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Substance Name: Etiohemin
RN: 19413-49-1
InChIKey: OZOWYXHSRNQLRW-SEUKLDDDSA-M

Note

  • Prosthetic group of myoglobin.

Molecular Formula

  • C32-H36-Cl-Fe-N4

Molecular Weight

  • 567.9624
 
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Names and Synonyms

Name of Substance

  • Etiohemin

Synonym

  • Etiohemin I

Systematic Name

  • Iron, chloro(2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-21H,23H-porphinato(2-)-N21,N22,N23,N24)-, (SP-5-12)-

Registry Numbers

CAS Registry Number

  • 19413-49-1

System Generated Number

  • 0019413491

Structure Descriptors

InChI

1S/C32H36N4.ClH.Fe/c1-9-21-17(5)25-14-30-23(11-3)19(7)27(35-30)16-32-24(12-4)20(8)28(36-32)15-31-22(10-2)18(6)26(34-31)13-29(21)33-25;;/h13-16H,9-12H2,1-8H3;1H;/q-2;;+3/p-1/b25-14-,26-13-,27-16-,28-15-,29-13-,30-14-,31-15-,32-16-;;

InChIKey

OZOWYXHSRNQLRW-SEUKLDDDSA-M

Smiles

CCc1c(c2/cc/3\nc(/cc\4/c(c(/c(/[n-]4)c/c5n/c(c\c1[n-]2)/C(=C5CC)C)C)CC)C(=C3CC)C)C.[Cl-].[Fe+3]